BDBM17226 3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl}-1-benzothiophene-2-carboxamide::benzothiophene compound, 2
SMILES: Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
InChI Key: InChIKey=CEOMZCJNXHJBMK-UHFFFAOYSA-N
Data: 7 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibition constant against human factor Xa | Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of factor 10a | J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.330 | -12.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Berlex | Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ... | Bioorg Med Chem 15: 2127-46 (2007) Article DOI: 10.1016/j.bmc.2006.12.019 BindingDB Entry DOI: 10.7270/Q2MS3R1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibition constant against human thrombin | Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex | Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ... | Bioorg Med Chem 15: 2127-46 (2007) Article DOI: 10.1016/j.bmc.2006.12.019 BindingDB Entry DOI: 10.7270/Q2MS3R1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex | Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ... | Bioorg Med Chem 15: 2127-46 (2007) Article DOI: 10.1016/j.bmc.2006.12.019 BindingDB Entry DOI: 10.7270/Q2MS3R1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Homo sapiens (Human)) | BDBM17226 (3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibition constant against bovine trypsin | Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C | |||||||||||
More data for this Ligand-Target Pair |